SCHEMBL1949099

SCHEMBL1949099

CC(C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)N(CCCl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.38
GCGR P47871 2/20 0.35
GIPR P48546 2/20 0.35
EPHX1 P07099 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
MLYCD O95822 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
GLP1R P43220 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
VNN1 O95497 1/20 0.33
HCRTR2 O43614 1/20 0.33
CETP P11597 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1438384 0.86 MLYCD (0.39) MLYCD
SCHEMBL1946881 0.86 ADRB2 (0.34) MLYCD
SCHEMBL6519394 0.86 SERPINE1 (0.44) SERPINE1GCGRGIPREPHX1TOP2A
SCHEMBL1947504 0.85 HTT (0.36) POLBTP53HPGDSMN1; SMN2MLYCD
SCHEMBL1949752 0.84 MT-CO2 (0.39)
SCHEMBL1949169 0.84 ADRB2 (0.33) HPGDSMN1; SMN2MLYCD
SCHEMBL1950109 0.83 ALDH1A1 (0.33) POLBHPGDSMN1; SMN2MLYCD
SCHEMBL1950134 0.83 MLYCD (0.36) POLBTP53SMN1; SMN2MLYCD
SCHEMBL1949103 0.78 SERPINE1 (0.39) SERPINE1GCGRGIPREPHX1TOP2A
SCHEMBL2483257 0.74 SERPINE1 (0.38) SERPINE1EPHX1TOP2ATOP2BMLYCD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 SERPINE1 11/4885GCGR 4246/4885GIPR 4717/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.